0 B8R1.1 BrCC1=CC=C(Br)S1 HR102730 [0,0,0,0,0,0|3,1,0]=4 1 B8R1.1 C#CC1=CC=C(Cl)S1 HR32697 [0,0,0,0,0,0|2,1,1]=4 2 B8R1.1 CC1=CC(C=O)=CS1 HR33855 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.1 CC1=CC=C(C=O)O1 HR131275 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.1 CC1=CC=C(C=O)S1 HR5205 [0,0,0,0,0,0|2,1,0]=3 5 B8R1.1 CC1=CC=C(CN)S1 HR103044 [0,0,0,0,0,0|2,1,0]=3 6 B8R1.1 CC1=CC=C(CO)O1 HR141630 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.1 CC1=CN=C(C=O)N1 HR107317 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.1 CC1=CN=C(C=O)S1 HR147497 [0,0,0,0,0,0|3,1,0]=4 9 B8R1.1 CC1=CSC(C=O)=C1 HR153184 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.1 CC1=CSC(CO)=C1 HR155961 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.1 CC1=CSC(CO)=N1 HR106643 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.1 CC1=NC(C#N)=CS1 HR143001 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.1 CC1=NC(C=O)=CO1 RESA02603 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.1 CC1=NC(C=O)=CS1 HR105709 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.1 CC1=NC(CCl)=CS1 HR120043 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.1 CC1=NC(CCl)=CS1 HR31790 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.1 CC1=NC(CO)=CO1 HR120355 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.1 CC1=NC(CO)=CS1 HR115556 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.1 CC1=NC=C(C=O)N1 HR108199 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.1 CC1=NC=C(C=O)S1 HR121283 [0,0,0,0,0,0|3,1,0]=4 21 B8R1.1 CC1=NN=C(CCl)O1 HR102000 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.1 CC1=NN=C(CN)O1 HR104579 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.1 CCC1=CC=C(C)S1 HR107230 [0,0,0,0,0,0|1,1,0]=2 24 B8R1.1 CCC1=CCC(C)=C1 HR108113 [0,0,0,0,0,0|2,0,1]=3 25 B8R1.1 CCC1=CN=C(C)N1 HR134215 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.1 CCC1=NC(C)=CN1 HR127274 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.1 CCC1=NC(C)=CS1 HR130200 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.1 CCN1C=CC(N)=N1 HR118461 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.1 CC[N+]1=CN(C)C=C1 HR110928 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.1 CC[N+]1=CN(C)C=C1 HR112740 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.1 CC[N+]1=CN(C)C=C1 HR114953 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.1 CC[N+]1=CN(C)C=C1 HR115990 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.1 CC[N+]1=CN(C)C=C1 HR122664 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.1 CC[N+]1=CN(C)C=C1 HR138037 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.1 CC[N+]1=CN(C)C=C1 HR138493 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.1 CC[N+]1=CN(C)C=C1 HR139588 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.1 CC[N+]1=CN(C)C=C1 HR140764 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.1 CCn1cc[n+](C)c1 HR113167 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.1 CCn1cc[n+](C)c1 HR114629 [0,0,0,0,0,0|4,0,0]=4 40 B8R1.1 CCn1cc[n+](C)c1 HR115672 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.1 CCn1cc[n+](C)c1 HR116303 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.1 CN1C=CC(C=O)=N1 HR115618 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.1 CN1C=CC(CBr)=N1 HR111485 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.1 COC1=NC(Br)=CS1 HR148887 [0,0,0,0,0,0|3,1,0]=4 45 B8R1.1 COC1=NC=C(Br)S1 HR148886 [0,0,0,0,0,0|2,2,0]=4 46 B8R1.1 CSC1=CC(Br)=CS1 HR153247 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.1 CSC1=CC(C)=CS1 HR153245 [0,0,0,0,0,0|2,0,0]=2 48 B8R1.1 CSC1=CC=C(Br)S1 HR153255 [0,0,0,0,0,0|1,1,0]=2 49 B8R1.1 CSC1=CC=C(C)O1 HR132044 [0,0,0,0,0,0|0,0,0]=0 50 B8R1.1 CSC1=CN=C(N)S1 HR114688 [0,0,0,0,0,0|2,1,0]=3 51 B8R1.1 CSC1=NN=C(N)S1 HR112102 [0,0,0,0,0,0|3,1,0]=4 52 B8R1.1 CSC1=NNC(N)=C1 HR117112 [0,0,0,0,0,0|4,0,0]=4 53 B8R1.1 Cc1csc(C=O)n1 HR121106 [0,0,0,0,0,0|4,0,0]=4 54 B8R1.1 ClC1=CC=C([Mg]Br)S1 HR107365 [0,0,0,0,0,0|3,1,0]=4 55 B8R1.1 ClCC1=CC=C(Cl)S1 HR103396 [0,0,0,0,0,0|3,1,0]=4 56 B8R1.1 N#CC1=CC=C(Br)S1 HR104354 [0,0,0,0,0,0|3,1,0]=4 57 B8R1.1 N#CC1=CC=C(Cl)S1 HR121369 [0,0,0,0,0,0|3,1,0]=4 58 B8R1.1 NCC1=CC=C(Br)S1 HR103535 [0,0,0,0,0,0|3,1,0]=4 59 B8R1.1 NCC1=CC=C(Cl)S1 HR120256 [0,0,0,0,0,0|3,1,0]=4 60 B8R1.1 O=C1C=CC(CO)O1 HR108465 [0,0,0,0,0,0|3,0,1]=4 61 B8R1.1 O=C1C=CC(CO)O1 HR7063 [0,0,0,0,0,0|3,0,1]=4 62 B8R1.1 O=CC1=CC=C(Br)O1 HR139603 [0,0,0,0,0,0|3,0,0]=3 63 B8R1.1 O=CC1=CC=C(Br)S1 HR132790 [0,0,0,0,0,0|3,1,0]=4 64 B8R1.1 O=CC1=CC=C(Cl)S1 HR104946 [0,0,0,0,0,0|3,1,0]=4 65 B8R1.1 O=CC1=CC=C(I)O1 HR117581 [0,0,0,0,0,0|3,0,0]=3 66 B8R1.1 OCC1=CC=C(Br)S1 HR115761 [0,0,0,0,0,0|3,1,0]=4 67 B7R1.1 BrCC1=CC=CS1 HR107794 [1,0,0,0,0,0|2,1,0]=4 68 B7R1.1 BrCC1=CC=NO1 HR111380 [1,0,0,0,0,0|3,0,0]=4 69 B7R1.1 Br[Mg]c1cccs1 HR115567 [1,0,0,0,0,0|2,1,0]=4 70 B7R1.1 C#CC1=CC=CS1 HR115815 [1,0,0,0,0,0|1,1,1]=4 71 B7R1.1 C=CC1=CC=CS1 HR127371 [1,0,0,0,0,0|1,1,1]=4 72 B7R1.1 CCC1=CC=CO1 HR125873 [1,0,0,0,0,0|1,0,0]=2 73 B7R1.1 CCC1=CC=CS1 HR111385 [1,0,0,0,0,0|1,1,0]=3 74 B7R1.1 CCC1=CSC=C1 HR124094 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.1 CCC1=NC=CN1 HR15972 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.1 CCC1=NC=CS1 HR130841 [1,0,0,0,0,0|2,1,0]=4 77 B7R1.1 CCN1C=CC=C1 HR125020 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.1 CCN1C=CC=N1 HR102255 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.1 CNC1=CN=CO1 HR119721 [1,0,0,0,0,0|2,0,0]=3 80 B7R1.1 CNC1=COC=N1 HR112378 [1,0,0,0,0,0|3,0,0]=4 81 B7R1.1 CNC1=NC=CS1 HR148142 [1,0,0,0,0,0|2,1,0]=4 82 B7R1.1 COC1=CC=CS1 HR128854 [1,0,0,0,0,0|0,2,0]=3 83 B7R1.1 COC1=CSC=C1 HR138278 [1,0,0,0,0,0|2,1,0]=4 84 B7R1.1 COC1=NC=CS1 HR146614 [1,0,0,0,0,0|1,2,0]=4 85 B7R1.1 CSC1=CC=CS1 HR119424 [1,0,0,0,0,0|0,1,0]=2 86 B7R1.1 CSC1=CSC=C1 HR153189 [1,0,0,0,0,0|2,0,0]=3 87 B7R1.1 ClCC1=CC=CS1 HR130983 [1,0,0,0,0,0|2,1,0]=4 88 B7R1.1 ClCC1=CC=NO1 HR106390 [1,0,0,0,0,0|3,0,0]=4 89 B7R1.1 ClCC1=CN=CO1 HR116607 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.1 ClCC1=NC=CO1 HR106973 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.1 N#CC1=CC=CN1 HR131195 [1,0,0,0,0,0|3,0,0]=4 92 B7R1.1 N#CC1=CC=CO1 HR105593 [1,0,0,0,0,0|2,0,0]=3 93 B7R1.1 N#CC1=CC=CS1 HR127173 [1,0,0,0,0,0|2,1,0]=4 94 B7R1.1 N#CC1=CN=CO1 HR119400 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.1 NCC1=CC=CN1 HR148675 [1,0,0,0,0,0|3,0,0]=4 96 B7R1.1 NCC1=CC=CS1 HR128270 [1,0,0,0,0,0|2,1,0]=4 97 B7R1.1 NCC1=CC=NO1 HR104828 [1,0,0,0,0,0|3,0,0]=4 98 B7R1.1 NCC1=CN=CO1 HR146908 [1,0,0,0,0,0|3,0,0]=4 99 B7R1.1 NCC1=NC=CO1 HR121937 [1,0,0,0,0,0|3,0,0]=4 100 B7R1.1 NCc1ccno1 HR111646 [1,0,0,0,0,0|3,0,0]=4 101 B7R1.1 O=CC1=CC=CN1 HR133248 [1,0,0,0,0,0|3,0,0]=4 102 B7R1.1 O=CC1=CC=CO1 HR147284 [1,0,0,0,0,0|2,0,0]=3 103 B7R1.1 O=CC1=CN=CO1 HR120030 [1,0,0,0,0,0|3,0,0]=4 104 B7R1.1 O=CC1=NC=CO1 HR119983 [1,0,0,0,0,0|3,0,0]=4 105 B7R1.1 O=Cc1cccs1 HR125923 [1,0,0,0,0,0|2,1,0]=4 106 B7R1.1 OCC1=CC=CO1 HR147620 [1,0,0,0,0,0|2,0,0]=3 107 B7R1.1 OCC1=CC=CS1 HR136423 [1,0,0,0,0,0|2,1,0]=4 108 B7R1.1 OCC1=CC=NO1 HR105454 [1,0,0,0,0,0|3,0,0]=4 109 B7R1.1 OCC1=CN=CO1 HR120976 [1,0,0,0,0,0|3,0,0]=4 110 B7R1.1 OCC1=NC=CO1 HR105529 [1,0,0,0,0,0|3,0,0]=4 111 B7R1.1 SCC1=CC=CS1 HR139099 [1,0,0,0,0,0|2,1,0]=4 112 B7R1.2 BrC1=CC=C(Br)S1 HR130516 [1,0,0,0,0,0|2,1,0]=4 113 B7R1.2 BrC1=CC=C(I)S1 HR117988 [1,0,0,0,0,0|2,1,0]=4 114 B7R1.2 CC1=CC(Br)=CS1 HR129329 [1,0,0,0,0,0|3,0,0]=4 115 B7R1.2 CC1=CC(C)=NN1 HR122101 [1,0,0,0,0,0|3,0,0]=4 116 B7R1.2 CC1=CC(C)=NO1 HR126201 [1,0,0,0,0,0|3,0,0]=4 117 B7R1.2 CC1=CC(N)=CS1 HR107971 [1,0,0,0,0,0|3,0,0]=4 118 B7R1.2 CC1=CC=C(Br)O1 HR117458 [1,0,0,0,0,0|1,0,0]=2 119 B7R1.2 CC1=CC=C(Br)S1 HR138580 [1,0,0,0,0,0|1,1,0]=3 120 B7R1.2 CC1=CC=C(C)N1 HR127998 [1,0,0,0,0,0|1,0,0]=2 121 B7R1.2 CC1=CC=C(C)S1 HR126900 [1,0,0,0,0,0|0,1,0]=2 122 B7R1.2 CC1=CC=C(Cl)S1 HR122756 [1,0,0,0,0,0|1,1,0]=3 123 B7R1.2 CC1=CC=C(I)S1 HR103673 [1,0,0,0,0,0|1,1,0]=3 124 B7R1.2 CC1=CCC(=O)O1 HR136942 [1,0,0,0,0,0|0,1,1]=3 125 B7R1.2 CC1=CN(C)N=C1 HR139700 [1,0,0,0,0,0|3,0,0]=4 126 B7R1.2 CC1=CN=C(Br)S1 HR106549 [1,0,0,0,0,0|2,1,0]=4 127 B7R1.2 CC1=CN=C(C)S1 HR137694 [1,0,0,0,0,0|1,1,0]=3 128 B7R1.2 CC1=CN=C(Cl)S1 HR146612 [1,0,0,0,0,0|2,1,0]=4 129 B7R1.2 CC1=CN=C(N)N1 HR113658 [1,0,0,0,0,0|3,0,0]=4 130 B7R1.2 CC1=CN=C(N)O1 HR115333 [1,0,0,0,0,0|2,0,0]=3 131 B7R1.2 CC1=CN=C(N)S1 HR132017 [1,0,0,0,0,0|2,1,0]=4 132 B7R1.2 CC1=CNC(C)=C1 HR129042 [1,0,0,0,0,0|2,0,0]=3 133 B7R1.2 CC1=CNC(C)=N1 HR126305 [1,0,0,0,0,0|2,0,0]=3 134 B7R1.2 CC1=CNC(I)=N1 HR122057 [1,0,0,0,0,0|3,0,0]=4 135 B7R1.2 CC1=COC(N)=N1 HR115657 [1,0,0,0,0,0|3,0,0]=4 136 B7R1.2 CC1=CSC(Br)=N1 HR115963 [1,0,0,0,0,0|3,0,0]=4 137 B7R1.2 CC1=CSC(C)=C1 HR101719 [1,0,0,0,0,0|2,0,0]=3 138 B7R1.2 CC1=CSC(C)=N1 HR133885 [1,0,0,0,0,0|2,0,0]=3 139 B7R1.2 CC1=CSC(N)=C1 HR103206 [1,0,0,0,0,0|3,0,0]=4 140 B7R1.2 CC1=CSC(N)=N1 HR100077 [1,0,0,0,0,0|3,0,0]=4 141 B7R1.2 CC1=CSC(N)=N1 HR125241 [1,0,0,0,0,0|3,0,0]=4 142 B7R1.2 CC1=NC(Br)=CN1 HR138270 [1,0,0,0,0,0|3,0,0]=4 143 B7R1.2 CC1=NC(Br)=CS1 HR108281 [1,0,0,0,0,0|3,0,0]=4 144 B7R1.2 CC1=NC(I)=CN1 HR111898 [1,0,0,0,0,0|3,0,0]=4 145 B7R1.2 CC1=NC(I)=CS1 HR30651 [1,0,0,0,0,0|3,0,0]=4 146 B7R1.2 CC1=NC=C(Br)S1 HR106603 [1,0,0,0,0,0|2,1,0]=4 147 B7R1.2 CC1=NC=C(I)S1 HR30443 [1,0,0,0,0,0|2,1,0]=4 148 B7R1.2 CC1=NC=C(N)S1 HR118663 [1,0,0,0,0,0|2,1,0]=4 149 B7R1.2 CC1=NN(C)C=C1 HR9119 [1,0,0,0,0,0|2,0,0]=3 150 B7R1.2 CC1=NNC(=O)O1 HR134101 [1,0,0,0,0,0|2,1,0]=4 151 B7R1.2 CC1=NNC(C)=N1 HR121391 [1,0,0,0,0,0|3,0,0]=4 152 B7R1.2 CN1C=CC(Br)=N1 HR119318 [1,0,0,0,0,0|3,0,0]=4 153 B7R1.2 CN1C=CC(I)=N1 HR32790 [1,0,0,0,0,0|3,0,0]=4 154 B7R1.2 CN1C=CC(N)=N1 HR9118 [1,0,0,0,0,0|3,0,0]=4 155 B7R1.2 CN1C=C[N+](C)=C1 HR103731 [1,0,0,0,0,0|3,0,0]=4 156 B7R1.2 Cc1coc(C)n1 HR130593 [1,0,0,0,0,0|2,0,0]=3 157 B7R1.2 ClC1=CC=C(Br)S1 HR116295 [1,0,0,0,0,0|2,1,0]=4 158 B7R1.2 ClC1=CC=C(Cl)S1 HR124877 [1,0,0,0,0,0|2,1,0]=4 159 B7R1.2 ClC1=CC=C(I)S1 HR33555 [1,0,0,0,0,0|2,1,0]=4 160 B7R1.2 IC1=CC=C(I)S1 HR119952 [1,0,0,0,0,0|2,1,0]=4 161 B7R1.2 O=C1C=CC(=O)N1 HR130748 [1,0,0,0,0,0|2,1,0]=4 162 B7R1.2 O=C1C=CC(=O)O1 HR146919 [1,0,0,0,0,0|1,1,0]=3 163 B9R1.7 CNCC1=CSC(C)=N1 HR113933 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.7 CNCC1=NC(C)=CS1 HR102831 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.7 COCC1=CC=C(Br)S1 HR153353 [0,1,0,0,0,0|1,2,0]=4 166 B9R1.7 NCCC1=CC=C(Br)S1 HR104636 [0,1,0,0,0,0|2,1,0]=4 167 B9R1.7 NCCc1ccc(Cl)s1 HR120576 [0,1,0,0,0,0|2,1,0]=4 168 B9R1.21 CCC1=CC=C(C=O)O1 HR139104 [0,1,0,0,0,0|1,0,1]=3 169 B9R1.21 CCC1=CC=C(C=O)S1 HR108183 [0,1,0,0,0,0|1,1,1]=4 170 B9R1.21 CCC1=CC=C(CC)S1 HR138839 [0,1,0,0,0,0|1,1,0]=3 171 B9R1.21 COC1=CC=C(OC)O1 HR140929 [0,1,0,0,0,0|0,1,0]=2 172 B9R1.21 COC1C=CC(OC)O1 HR137526 [0,1,0,0,0,0|0,1,2]=4 173 B9R1.21 CSC1=CC(C=O)=CS1 HR153250 [0,1,0,0,0,0|2,0,1]=4 174 B9R1.21 CSC1=CC=C(C=O)S1 HR116975 [0,1,0,0,0,0|0,1,1]=3 175 B9R1.21 N#CC1=CC=C(CN)S1 HR103215 [0,1,0,0,0,0|2,1,0]=4 176 B9R1.21 O=CC1=CC=C(C=O)O1 HR135279 [0,1,0,0,0,0|2,0,1]=4 177 B9R1.21 O=CC1=CC=C(CCl)O1 HR104578 [0,1,0,0,0,0|2,0,0]=3 178 B9R1.21 O=CC1=CC=C(CO)O1 HR127118 [0,1,0,0,0,0|2,0,0]=3 179 B9R1.21 OCC1=CC=C(CO)O1 HR107797 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.22 CC1=CC(C)=C(C=O)N1 HR127168 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.22 CC1=NC(C)=C(C=O)O1 HR106346 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.22 CCN1N=C(C)C=C1C HR142696 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.23 CC1=C(Br)C=C(C=O)S1 HR153180 [0,1,0,0,0,0|2,1,0]=4 184 B9R1.23 CCC1=NC(C)=C(C)S1 HR142794 [0,1,0,0,0,0|2,1,0]=4 185 B9R1.23 CNC1=NN(C)C(C)=C1 HR104569 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.23 O=CC1=CC(Br)=C(Br)O1 HR121297 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.35 CC(=O)C1=CC(C)=CS1 HR145098 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.35 CC(=O)C1=CC=C(Br)O1 HR119214 [0,1,0,0,0,0|2,0,0]=3 189 B9R1.35 CC(=O)C1=CC=C(Br)S1 HR131579 [0,1,0,0,0,0|2,1,0]=4 190 B9R1.35 CC(=O)C1=CC=C(C)S1 HR122220 [0,1,0,0,0,0|1,1,0]=3 191 B9R1.35 CC(=O)C1=CC=C(Cl)S1 HR117664 [0,1,0,0,0,0|2,1,0]=4 192 B9R1.35 CC(=O)C1=CC=C(Cl)S1 HR147236 [0,1,0,0,0,0|2,1,0]=4 193 B9R1.35 CC(=O)C1=CSC(C)=N1 HR113169 [0,1,0,0,0,0|3,0,0]=4 194 B9R1.35 CC1=CC=C(B(O)O)O1 HR109427 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.35 CC1=CC=C(B(O)O)S1 HR119689 [0,1,0,0,0,0|2,1,0]=4 196 B9R1.35 CC1=CC=C(C(=O)Cl)O1 HR111826 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.35 CC1=CC=C(C(=O)O)O1 HR105468 [0,1,0,0,0,0|2,0,0]=3 198 B9R1.35 CC1=CC=C(C(=O)O)S1 HR134654 [0,1,0,0,0,0|2,1,0]=4 199 B9R1.35 CC1=CSC(C(C)C)=N1 HR138124 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.35 CC1=NC(C(C)N)=CS1 HR105834 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 HR10452 [0,1,0,0,0,0|3,0,0]=4 202 B9R1.35 O=C(O)C1=CC=C(Cl)O1 HR109565 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.35 O=C(O)c1ccc(Br)o1 HR129600 [0,1,0,0,0,0|3,0,0]=4 204 B7R0.3 C=CC(=O)OCCC HR144889 [0,0,1,0,0,0|2,0,1]=4 205 B7R0.3 CO\C=C\C(=O)OC HR100409 [0,0,1,0,0,0|1,1,1]=4 206 B7R0.3 CO\C=C\C(=O)OC HR123737 [0,0,1,0,0,0|1,1,1]=4 207 B7R0.3 C\C=C\CC(=O)OC HR127455 [0,0,1,0,0,0|0,1,2]=4 208 B7R0.4 CCC\C=C\C(C)=O HR30170 [0,0,1,0,0,0|1,0,2]=4 209 B7R0.4 CCO\C=C\C(=O)O HR20958 [0,0,1,0,0,0|3,0,0]=4 210 B7R0.4 CC\C=C\CC(=O)O HR109903 [0,0,1,0,0,0|2,0,1]=4 211 B7R0.4 C\C=C\C=C\C(=O)O HR125524 [0,0,1,0,0,0|2,0,0]=3 212 B7R0.4 C\C=C\C=C\C(=O)[O-] HR124997 [0,0,1,0,0,0|2,0,1]=4 213 B7R0.4 C\C=C\C=C\C(=O)[O-] HR125264 [0,0,1,0,0,0|2,0,1]=4 214 B9R1.1 C#CC1=CC=C(C)C=C1 HR136983 [0,0,0,0,0,1|2,0,1]=4 215 B9R1.1 C=CC1=CN=C(C)C=C1 HR130292 [0,0,0,0,0,1|2,0,1]=4 216 B9R1.1 CC1=CC=C(C#N)C=C1 HR8168 [0,0,0,0,0,1|3,0,0]=4 217 B9R1.1 CC1=CC=C(C#N)C=N1 HR103696 [0,0,0,0,0,1|3,0,0]=4 218 B9R1.1 CC1=CC=C(C=O)C=C1 HR131206 [0,0,0,0,0,1|3,0,0]=4 219 B9R1.1 CC1=CC=C(CBr)C=C1 HR123604 [0,0,0,0,0,1|3,0,0]=4 220 B9R1.1 CC1=CC=C(CCl)C=C1 HR128366 [0,0,0,0,0,1|3,0,0]=4 221 B9R1.1 CC1=CC=C(CN)C=C1 HR124253 [0,0,0,0,0,1|3,0,0]=4 222 B9R1.1 CC1=CC=C(CO)C=C1 HR127584 [0,0,0,0,0,1|3,0,0]=4 223 B9R1.1 CC1=CC=C(CO)C=N1 HR104447 [0,0,0,0,0,1|3,0,0]=4 224 B9R1.1 CC1=CC=C(NN)C=C1 HR102423 [0,0,0,0,0,1|3,0,0]=4 225 B9R1.1 CC1=CC=C(NN)C=C1 HR127308 [0,0,0,0,0,1|3,0,0]=4 226 B9R1.1 CC1=CC=C(NN)C=N1 HR114703 [0,0,0,0,0,1|3,0,0]=4 227 B9R1.1 CC1=CC=C(NN)N=N1 HR103031 [0,0,0,0,0,1|3,0,0]=4 228 B9R1.1 CC1=CC=C([Mg]Br)C=C1 HR110524 [0,0,0,0,0,1|3,0,0]=4 229 B9R1.1 CC1=CC=C([Mg]Cl)C=C1 HR116520 [0,0,0,0,0,1|3,0,0]=4 230 B9R1.1 CC1=CN=C(C#N)C=C1 HR12978 [0,0,0,0,0,1|3,0,0]=4 231 B9R1.1 CC1=CN=C(C=O)C=C1 HR133859 [0,0,0,0,0,1|3,0,0]=4 232 B9R1.1 CC1=CN=C(CN)C=C1 HR146882 [0,0,0,0,0,1|3,0,0]=4 233 B9R1.1 CC1=CN=C(CO)C=C1 HR152994 [0,0,0,0,0,1|3,0,0]=4 234 B9R1.1 CC1=NC=C(C=O)C=C1 HR120114 [0,0,0,0,0,1|3,0,0]=4 235 B9R1.1 CC1=NC=C(C=S)C=C1 HR152666 [0,0,0,0,0,1|3,0,0]=4 236 B9R1.1 CC1=NC=C(CCl)C=C1 HR102069 [0,0,0,0,0,1|3,0,0]=4 237 B9R1.1 CC1=NC=C(CCl)C=C1 HR119770 [0,0,0,0,0,1|3,0,0]=4 238 B9R1.1 CCC1=CC=C(Br)C=C1 HR3772 [0,0,0,0,0,1|3,0,0]=4 239 B9R1.1 CCC1=CC=C(C)C=C1 HR139087 [0,0,0,0,0,1|2,0,0]=3 240 B9R1.1 CCC1=CC=C(F)C=C1 HR116057 [0,0,0,0,0,1|3,0,0]=4 241 B9R1.1 CCC1=CC=C(I)C=C1 HR134481 [0,0,0,0,0,1|3,0,0]=4 242 B9R1.1 CCC1=CC=C(N)C=C1 HR135678 [0,0,0,0,0,1|3,0,0]=4 243 B9R1.1 CCC1=CC=C(O)C=C1 HR3874 [0,0,0,0,0,1|3,0,0]=4 244 B9R1.1 CCC1=CC=C(S)C=C1 HR132680 [0,0,0,0,0,1|3,0,0]=4 245 B9R1.1 CCC1=CN=C(C)C=C1 HR10482 [0,0,0,0,0,1|2,0,0]=3 246 B9R1.1 CCC1=CN=C(O)C=C1 HR110137 [0,0,0,0,0,1|3,0,0]=4 247 B9R1.1 CCC1=NC=C(Br)C=C1 HR32793 [0,0,0,0,0,1|3,0,0]=4 248 B9R1.1 CCC1=NC=C(C)N=C1 HR128937 [0,0,0,0,0,1|3,0,0]=4 249 B9R1.1 CNC1=CC=C(C)C=C1 HR128207 [0,0,0,0,0,1|2,0,0]=3 250 B9R1.1 CNC1=CC=C(Cl)C=C1 HR139089 [0,0,0,0,0,1|3,0,0]=4 251 B9R1.1 CNC1=CC=C(Cl)N=N1 HR147548 [0,0,0,0,0,1|3,0,0]=4 252 B9R1.1 CNC1=CC=C(F)C=C1 HR143239 [0,0,0,0,0,1|3,0,0]=4 253 B9R1.1 CNC1=CC=C(I)C=C1 HR147442 [0,0,0,0,0,1|3,0,0]=4 254 B9R1.1 CNC1=CC=C(N)C=C1 HR124809 [0,0,0,0,0,1|3,0,0]=4 255 B9R1.1 CNC1=CC=C(N)C=C1 HR127936 [0,0,0,0,0,1|3,0,0]=4 256 B9R1.1 CNC1=CC=C(O)C=C1 HR142548 [0,0,0,0,0,1|3,0,0]=4 257 B9R1.1 CNC1=NC=C(Br)C=C1 HR147486 [0,0,0,0,0,1|3,0,0]=4 258 B9R1.1 COC1=CC=C(Br)C=C1 HR146915 [0,0,0,0,0,1|2,1,0]=4 259 B9R1.1 COC1=CC=C(Br)N=N1 HR105227 [0,0,0,0,0,1|2,1,0]=4 260 B9R1.1 COC1=CC=C(C)C=C1 HR132594 [0,0,0,0,0,1|1,1,0]=3 261 B9R1.1 COC1=CC=C(Cl)C=C1 HR124117 [0,0,0,0,0,1|2,1,0]=4 262 B9R1.1 COC1=CC=C(Cl)N=N1 HR133894 [0,0,0,0,0,1|2,1,0]=4 263 B9R1.1 COC1=CC=C(F)C=C1 HR129685 [0,0,0,0,0,1|2,1,0]=4 264 B9R1.1 COC1=CC=C(I)C=C1 HOJB00105 [0,0,0,0,0,1|2,1,0]=4 265 B9R1.1 COC1=CC=C(N)C=C1 HR146916 [0,0,0,0,0,1|2,1,0]=4 266 B9R1.1 COC1=CC=C(N)N=N1 HR111296 [0,0,0,0,0,1|2,1,0]=4 267 B9R1.1 COC1=CC=C(O)C=C1 HR2276 [0,0,0,0,0,1|2,1,0]=4 268 B9R1.1 COC1=CC=C(O)C=N1 HR32560 [0,0,0,0,0,1|2,1,0]=4 269 B9R1.1 COC1=CC=C(S)C=C1 HR122828 [0,0,0,0,0,1|2,1,0]=4 270 B9R1.1 COC1=CN=C(Br)C=C1 HR32803 [0,0,0,0,0,1|2,1,0]=4 271 B9R1.1 COC1=CN=C(Cl)C=C1 HR103038 [0,0,0,0,0,1|2,1,0]=4 272 B9R1.1 COC1=CN=C(F)C=C1 HR32552 [0,0,0,0,0,1|2,1,0]=4 273 B9R1.1 COC1=CN=C(N)C=C1 HR32397 [0,0,0,0,0,1|2,1,0]=4 274 B9R1.1 COC1=NC=C(Br)C=C1 HR137211 [0,0,0,0,0,1|2,1,0]=4 275 B9R1.1 COC1=NC=C(C)C=C1 HR6609 [0,0,0,0,0,1|1,1,0]=3 276 B9R1.1 COC1=NC=C(C)N=C1 HR123958 [0,0,0,0,0,1|2,1,0]=4 277 B9R1.1 COC1=NC=C(Cl)C=C1 HR114485 [0,0,0,0,0,1|2,1,0]=4 278 B9R1.1 COC1=NC=C(F)C=C1 HR11248 [0,0,0,0,0,1|2,1,0]=4 279 B9R1.1 COC1=NC=C(I)C=C1 HR156588 [0,0,0,0,0,1|2,1,0]=4 280 B9R1.1 COC1=NC=C(N)C=C1 HR132091 [0,0,0,0,0,1|2,1,0]=4 281 B9R1.1 COc1ccc(N)cc1 HR145121 [0,0,0,0,0,1|2,1,0]=4 282 B9R1.1 CSC1=CC=C(Br)C=C1 HR136118 [0,0,0,0,0,1|2,0,0]=3 283 B9R1.1 CSC1=CC=C(C)C=C1 HR101328 [0,0,0,0,0,1|1,0,0]=2 284 B9R1.1 CSC1=CC=C(Cl)C=C1 HR125986 [0,0,0,0,0,1|2,0,0]=3 285 B9R1.1 CSC1=CC=C(F)C=C1 HR102835 [0,0,0,0,0,1|2,0,0]=3 286 B9R1.1 CSC1=CC=C(I)C=C1 HR145122 [0,0,0,0,0,1|2,0,0]=3 287 B9R1.1 CSC1=CC=C(N)C=C1 HR138130 [0,0,0,0,0,1|2,0,0]=3 288 B9R1.1 CSC1=CC=C(O)C=C1 FEJL01902 [0,0,0,0,0,1|2,0,0]=3 289 B9R1.1 CSC1=CC=C(S)C=C1 HR136561 [0,0,0,0,0,1|2,0,0]=3 290 B9R1.1 CSC1=CN=C(Br)C=C1 HR152521 [0,0,0,0,0,1|2,0,0]=3 291 B9R1.1 CSC1=CN=C(Br)C=N1 HR107298 [0,0,0,0,0,1|3,0,0]=4 292 B9R1.1 CSC1=CN=C(C)C=N1 HR124466 [0,0,0,0,0,1|2,0,0]=3 293 B9R1.1 CSC1=CN=C(F)C=C1 HR152811 [0,0,0,0,0,1|2,0,0]=3 294 B9R1.1 CSC1=CN=C(N)C=C1 HR142025 [0,0,0,0,0,1|2,0,0]=3 295 B9R1.1 CSC1=CN=C(N)C=N1 HR109495 [0,0,0,0,0,1|3,0,0]=4 296 B9R1.1 CSC1=NC=C(Br)C=C1 HR104024 [0,0,0,0,0,1|2,0,0]=3 297 B9R1.1 CSC1=NC=C(Br)C=N1 HR33571 [0,0,0,0,0,1|3,0,0]=4 298 B9R1.1 CSC1=NC=C(C)C=C1 HR152871 [0,0,0,0,0,1|1,0,0]=2 299 B9R1.1 CSC1=NC=C(C)C=N1 HR114762 [0,0,0,0,0,1|2,0,0]=3 300 B9R1.1 CSC1=NC=C(Cl)C=C1 HR152433 [0,0,0,0,0,1|2,0,0]=3 301 B9R1.1 Cc1ccc(NN)cc1 HR102634 [0,0,0,0,0,1|3,0,0]=4 302 B9R1.1 Cc1ccc(NN)cn1 HR142604 [0,0,0,0,0,1|3,0,0]=4 303 B9R1.1 [1*]SC1=CC=C([2*])C=C1 HR100365 [0,0,0,0,0,1|3,0,0]=4 304 B9R1.2 C#CC1=CC=CC(C)=C1 HR139871 [0,0,0,0,0,1|2,0,1]=4 305 B9R1.2 CC1=CC(C#N)=NC=C1 HR21387 [0,0,0,0,0,1|3,0,0]=4 306 B9R1.2 CC1=CC(C=O)=CC=C1 HR128890 [0,0,0,0,0,1|3,0,0]=4 307 B9R1.2 CC1=CC(C=O)=CN=C1 HR121509 [0,0,0,0,0,1|3,0,0]=4 308 B9R1.2 CC1=CC(C=O)=NC=C1 HR130135 [0,0,0,0,0,1|3,0,0]=4 309 B9R1.2 CC1=CC(NN)=CC=C1 HR118305 [0,0,0,0,0,1|3,0,0]=4 310 B9R1.2 CC1=CC(NN)=NC=C1 HR148427 [0,0,0,0,0,1|3,0,0]=4 311 B9R1.2 CC1=CC([Mg]Br)=CC=C1 HR121856 [0,0,0,0,0,1|3,0,0]=4 312 B9R1.2 CC1=CC=CC(C#N)=C1 HR147064 [0,0,0,0,0,1|3,0,0]=4 313 B9R1.2 CC1=CC=CC(C#N)=N1 HR125912 [0,0,0,0,0,1|3,0,0]=4 314 B9R1.2 CC1=CC=CC(C=O)=N1 HR135669 [0,0,0,0,0,1|3,0,0]=4 315 B9R1.2 CC1=CC=CC(CBr)=C1 HR132756 [0,0,0,0,0,1|3,0,0]=4 316 B9R1.2 CC1=CC=CC(CBr)=N1 HR138125 [0,0,0,0,0,1|3,0,0]=4 317 B9R1.2 CC1=CC=CC(CCl)=C1 HR132041 [0,0,0,0,0,1|3,0,0]=4 318 B9R1.2 CC1=CC=CC(CCl)=N1 HR117937 [0,0,0,0,0,1|3,0,0]=4 319 B9R1.2 CC1=CC=CC(CN)=C1 HR134990 [0,0,0,0,0,1|3,0,0]=4 320 B9R1.2 CC1=CC=CC(CN)=N1 HR105915 [0,0,0,0,0,1|3,0,0]=4 321 B9R1.2 CC1=CC=CC(CO)=C1 HR138128 [0,0,0,0,0,1|3,0,0]=4 322 B9R1.2 CC1=CC=CC(CO)=N1 HR20959 [0,0,0,0,0,1|3,0,0]=4 323 B9R1.2 CC1=CC=CC(CS)=C1 HR119173 [0,0,0,0,0,1|3,0,0]=4 324 B9R1.2 CC1=CC=CC(NN)=C1 HR128310 [0,0,0,0,0,1|3,0,0]=4 325 B9R1.2 CC1=CC=CC(NN)=N1 HR145919 [0,0,0,0,0,1|3,0,0]=4 326 B9R1.2 CC1=CN=CC(C#N)=C1 HR131719 [0,0,0,0,0,1|3,0,0]=4 327 B9R1.2 CC1=CN=CC(CCl)=C1 HR107932 [0,0,0,0,0,1|3,0,0]=4 328 B9R1.2 CC1=CN=CC(CO)=C1 HR103480 [0,0,0,0,0,1|3,0,0]=4 329 B9R1.2 CC1=NC=CC(C#N)=C1 HR30164 [0,0,0,0,0,1|3,0,0]=4 330 B9R1.2 CC1=NC=CC(C=O)=C1 HR136587 [0,0,0,0,0,1|3,0,0]=4 331 B9R1.2 CC1=NC=CC(C=O)=N1 HR121597 [0,0,0,0,0,1|3,0,0]=4 332 B9R1.2 CC1=NC=CC(CN)=C1 HR33910 [0,0,0,0,0,1|3,0,0]=4 333 B9R1.2 CC1=NC=CC(CO)=C1 HR120041 [0,0,0,0,0,1|3,0,0]=4 334 B9R1.2 CCC1=CC(Br)=NC=C1 HR121490 [0,0,0,0,0,1|3,0,0]=4 335 B9R1.2 CCC1=CC(N)=NC=C1 HR112213 [0,0,0,0,0,1|3,0,0]=4 336 B9R1.2 CCC1=CC=CC(Br)=C1 HR140648 [0,0,0,0,0,1|3,0,0]=4 337 B9R1.2 CCC1=CC=CC(Cl)=C1 HR105116 [0,0,0,0,0,1|3,0,0]=4 338 B9R1.2 CCC1=CC=CC(N)=C1 HR117646 [0,0,0,0,0,1|3,0,0]=4 339 B9R1.2 CCC1=CC=CC(N)=N1 HR111426 [0,0,0,0,0,1|3,0,0]=4 340 B9R1.2 CCC1=CC=CC(O)=C1 HR132582 [0,0,0,0,0,1|3,0,0]=4 341 B9R1.2 CCC1=CN=CC(Br)=C1 HR147705 [0,0,0,0,0,1|3,0,0]=4 342 B9R1.2 CCC1=NC(C)=CN=C1 HR103679 [0,0,0,0,0,1|2,0,0]=3 343 B9R1.2 CNC1=CC(Br)=CC=C1 HR109153 [0,0,0,0,0,1|3,0,0]=4 344 B9R1.2 CNC1=CC(Br)=CN=C1 HR33743 [0,0,0,0,0,1|3,0,0]=4 345 B9R1.2 CNC1=CC(Br)=NC=C1 HR32609 [0,0,0,0,0,1|3,0,0]=4 346 B9R1.2 CNC1=CC(Cl)=CC=C1 HR9202 [0,0,0,0,0,1|3,0,0]=4 347 B9R1.2 CNC1=CC(F)=CC=C1 HR102295 [0,0,0,0,0,1|3,0,0]=4 348 B9R1.2 CNC1=CC=CC(C)=C1 HR128472 [0,0,0,0,0,1|2,0,0]=3 349 B9R1.2 CNC1=CC=CC(N)=C1 HR113475 [0,0,0,0,0,1|3,0,0]=4 350 B9R1.2 CNC1=CC=CC(O)=C1 HR31869 [0,0,0,0,0,1|3,0,0]=4 351 B9R1.2 CNC1=NC(Cl)=CC=C1 HR139033 [0,0,0,0,0,1|3,0,0]=4 352 B9R1.2 CNC1=NC(Cl)=CN=C1 HR147547 [0,0,0,0,0,1|3,0,0]=4 353 B9R1.2 CNC1=NC(Cl)=NC=C1 HR110496 [0,0,0,0,0,1|3,0,0]=4 354 B9R1.2 CNC1=NC(N)=NC=C1 HR111395 [0,0,0,0,0,1|3,0,0]=4 355 B9R1.2 CNC1=NC=CC(Br)=C1 HR30707 [0,0,0,0,0,1|3,0,0]=4 356 B9R1.2 CNC1=NC=CC(Br)=N1 HR148561 [0,0,0,0,0,1|3,0,0]=4 357 B9R1.2 CNC1=NC=CC(Cl)=N1 HR147306 [0,0,0,0,0,1|3,0,0]=4 358 B9R1.2 CNC1=NC=CC(I)=C1 HR152755 [0,0,0,0,0,1|3,0,0]=4 359 B9R1.2 CNC1=NC=CC(N)=N1 HR118239 [0,0,0,0,0,1|3,0,0]=4 360 B9R1.2 COC1=CC(Br)=NC=C1 HR30626 [0,0,0,0,0,1|2,1,0]=4 361 B9R1.2 COC1=CC(C)=CC=C1 HR135808 [0,0,0,0,0,1|1,1,0]=3 362 B9R1.2 COC1=CC(C)=CN=C1 HR104484 [0,0,0,0,0,1|1,1,0]=3 363 B9R1.2 COC1=CC(Cl)=NC=C1 HR30624 [0,0,0,0,0,1|2,1,0]=4 364 B9R1.2 COC1=CC(F)=CC=C1 HR129426 [0,0,0,0,0,1|2,1,0]=4 365 B9R1.2 COC1=CC(F)=NC=C1 HR34007 [0,0,0,0,0,1|2,1,0]=4 366 B9R1.2 COC1=CC(N)=NC=C1 HR130386 [0,0,0,0,0,1|2,1,0]=4 367 B9R1.2 COC1=CC(O)=NC=C1 HR117471 [0,0,0,0,0,1|2,1,0]=4 368 B9R1.2 COC1=CC=CC(Br)=C1 HR136293 [0,0,0,0,0,1|2,1,0]=4 369 B9R1.2 COC1=CC=CC(Br)=N1 HR136250 [0,0,0,0,0,1|2,1,0]=4 370 B9R1.2 COC1=CC=CC(Cl)=C1 HR123852 [0,0,0,0,0,1|2,1,0]=4 371 B9R1.2 COC1=CC=CC(Cl)=N1 HR136204 [0,0,0,0,0,1|2,1,0]=4 372 B9R1.2 COC1=CC=CC(I)=C1 HR139943 [0,0,0,0,0,1|2,1,0]=4 373 B9R1.2 COC1=CC=CC(I)=N1 HR32677 [0,0,0,0,0,1|2,1,0]=4 374 B9R1.2 COC1=CC=CC(N)=N1 HR12919 [0,0,0,0,0,1|2,1,0]=4 375 B9R1.2 COC1=CC=CC(O)=C1 HR134507 [0,0,0,0,0,1|2,1,0]=4 376 B9R1.2 COC1=CC=CC(S)=C1 HR122562 [0,0,0,0,0,1|2,1,0]=4 377 B9R1.2 COC1=CN=CC(Br)=C1 HR133604 [0,0,0,0,0,1|2,1,0]=4 378 B9R1.2 COC1=CN=CC(Cl)=C1 HR136337 [0,0,0,0,0,1|2,1,0]=4 379 B9R1.2 COC1=CN=CC(Cl)=N1 HR147275 [0,0,0,0,0,1|2,1,0]=4 380 B9R1.2 COC1=CN=CC(F)=C1 HR152698 [0,0,0,0,0,1|2,1,0]=4 381 B9R1.2 COC1=CN=CC(N)=C1 HR33750 [0,0,0,0,0,1|2,1,0]=4 382 B9R1.2 COC1=CN=CC(N)=N1 HR115560 [0,0,0,0,0,1|2,1,0]=4 383 B9R1.2 COC1=CN=CC(O)=C1 HR106001 [0,0,0,0,0,1|2,1,0]=4 384 B9R1.2 COC1=NC(Br)=NC=C1 HR30559 [0,0,0,0,0,1|2,1,0]=4 385 B9R1.2 COC1=NC(C)=CC=C1 HR130037 [0,0,0,0,0,1|1,1,0]=3 386 B9R1.2 COC1=NC(C)=CN=C1 HR124217 [0,0,0,0,0,1|1,1,0]=3 387 B9R1.2 COC1=NC(C)=NC=C1 HR146475 [0,0,0,0,0,1|1,1,0]=3 388 B9R1.2 COC1=NC(Cl)=NC=C1 HR116189 [0,0,0,0,0,1|2,1,0]=4 389 B9R1.2 COC1=NC(I)=NC=C1 HR115520 [0,0,0,0,0,1|2,1,0]=4 390 B9R1.2 COC1=NC(N)=NC=C1 HR30561 [0,0,0,0,0,1|2,1,0]=4 391 B9R1.2 COC1=NC=CC(Br)=C1 HR30416 [0,0,0,0,0,1|2,1,0]=4 392 B9R1.2 COC1=NC=CC(Br)=N1 HR32577 [0,0,0,0,0,1|2,1,0]=4 393 B9R1.2 COC1=NC=CC(C)=C1 HR138011 [0,0,0,0,0,1|1,1,0]=3 394 B9R1.2 COC1=NC=CC(Cl)=C1 HR6663 [0,0,0,0,0,1|2,1,0]=4 395 B9R1.2 COC1=NC=CC(Cl)=N1 HR112747 [0,0,0,0,0,1|2,1,0]=4 396 B9R1.2 COC1=NC=CC(F)=C1 HR109376 [0,0,0,0,0,1|2,1,0]=4 397 B9R1.2 COC1=NC=CC(I)=C1 HR108979 [0,0,0,0,0,1|2,1,0]=4 398 B9R1.2 COC1=NC=CC(N)=C1 HR117526 [0,0,0,0,0,1|2,1,0]=4 399 B9R1.2 COC1=NC=CC(N)=C1 HR6595 [0,0,0,0,0,1|2,1,0]=4 400 B9R1.2 COC1=NC=CC(N)=N1 HR30560 [0,0,0,0,0,1|2,1,0]=4 401 B9R1.2 COC1=NC=CC(O)=C1 HR143478 [0,0,0,0,0,1|2,1,0]=4 402 B9R1.2 COC1=NC=CC(O)=N1 HR112117 [0,0,0,0,0,1|2,1,0]=4 403 B9R1.2 CSC1=CC(Br)=CC=C1 PRXM00601 [0,0,0,0,0,1|2,0,0]=3 404 B9R1.2 CSC1=CC(Cl)=CC=C1 HR154063 [0,0,0,0,0,1|2,0,0]=3 405 B9R1.2 CSC1=CC(Cl)=NC=C1 HR113628 [0,0,0,0,0,1|2,0,0]=3 406 B9R1.2 CSC1=CC(Cl)=NC=N1 HR120682 [0,0,0,0,0,1|3,0,0]=4 407 B9R1.2 CSC1=CC(F)=CC=C1 HR139303 [0,0,0,0,0,1|2,0,0]=3 408 B9R1.2 CSC1=CC(F)=NC=C1 HR152916 [0,0,0,0,0,1|2,0,0]=3 409 B9R1.2 CSC1=CC(N)=CC=C1 HR10635 [0,0,0,0,0,1|2,0,0]=3 410 B9R1.2 CSC1=CC=CC(Br)=N1 HR31868 [0,0,0,0,0,1|2,0,0]=3 411 B9R1.2 CSC1=CC=CC(C)=C1 HR140264 [0,0,0,0,0,1|1,0,0]=2 412 B9R1.2 CSC1=CC=CC(I)=C1 HR139126 [0,0,0,0,0,1|2,0,0]=3 413 B9R1.2 CSC1=CN=CC(Br)=C1 HR152656 [0,0,0,0,0,1|2,0,0]=3 414 B9R1.2 CSC1=CN=CC(C)=N1 HR124732 [0,0,0,0,0,1|1,0,0]=2 415 B9R1.2 CSC1=CN=CC(Cl)=C1 HR153113 [0,0,0,0,0,1|2,0,0]=3 416 B9R1.2 CSC1=CN=CC(O)=C1 HR152980 [0,0,0,0,0,1|2,0,0]=3 417 B9R1.2 CSC1=NC(Cl)=NC=C1 HR109499 [0,0,0,0,0,1|2,0,0]=3 418 B9R1.2 CSC1=NC=CC(=O)N1 HR138000 [0,0,0,0,0,1|2,0,0]=3 419 B9R1.2 CSC1=NC=CC(Br)=N1 HR113104 [0,0,0,0,0,1|2,0,0]=3 420 B9R1.2 CSC1=NC=CC(C)=N1 HR102479 [0,0,0,0,0,1|1,0,0]=2 421 B9R1.2 CSC1=NC=CC(Cl)=C1 HR148091 [0,0,0,0,0,1|2,0,0]=3 422 B9R1.2 CSC1=NC=CC(Cl)=N1 HR138302 [0,0,0,0,0,1|2,0,0]=3 423 B9R1.2 CSC1=NC=CC(N)=N1 HR118029 [0,0,0,0,0,1|2,0,0]=3 424 B9R1.2 Cc1cccc([Mg]Cl)c1 HR108627 [0,0,0,0,0,1|3,0,0]=4 425 B6R0.1 C=COC(=O)CC HR145643 [1,0,1,0,0,0|2,0,0]=4 426 B6R0.1 C\C=C\C(=O)CC HR108073 [1,0,1,0,0,0|1,0,1]=4 427 B6R0.2 CC(=O)OC(C)=O NASA01407 [1,0,1,0,0,0|2,0,0]=4 428 B6R0.4 CO\C=C\C(C)=O HR138997 [1,0,1,0,0,0|0,1,1]=4 429 B6R0.6 C\C=C\C=C\C=O HR122495 [1,0,1,0,0,0|1,0,1]=4 430 B6R0.6 C\C=C\C=C\CO HR126927 [1,0,1,0,0,0|1,0,1]=4 431 B6R0.9 C=CC(OC)OC HR128249 [1,0,1,0,0,0|0,1,1]=4 432 B6R1.2 BrC1=CC=CO1 HR132225 [2,0,0,0,0,0|1,0,0]=3 433 B6R1.2 BrC1=CC=CS1 HR34180 [2,0,0,0,0,0|1,1,0]=4 434 B6R1.2 BrC1=CN=CO1 HR146519 [2,0,0,0,0,0|2,0,0]=4 435 B6R1.2 BrC1=NC=CO1 HR107371 [2,0,0,0,0,0|2,0,0]=4 436 B6R1.2 CC1=CC=CN1 HR147294 [2,0,0,0,0,0|1,0,0]=3 437 B6R1.2 CC1=CC=CS1 HR131866 [2,0,0,0,0,0|0,1,0]=3 438 B6R1.2 CC1=CC=NN1 HR10442 [2,0,0,0,0,0|2,0,0]=4 439 B6R1.2 CC1=CC=NO1 HR131159 [2,0,0,0,0,0|1,0,0]=3 440 B6R1.2 CC1=CN=CS1 HR128769 [2,0,0,0,0,0|1,1,0]=4 441 B6R1.2 CC1=CNC=C1 HR13921 [2,0,0,0,0,0|2,0,0]=4 442 B6R1.2 CC1=CNC=N1 HR7153 [2,0,0,0,0,0|2,0,0]=4 443 B6R1.2 CC1=COC=C1 HR125178 [2,0,0,0,0,0|2,0,0]=4 444 B6R1.2 CC1=COC=N1 HR121299 [2,0,0,0,0,0|2,0,0]=4 445 B6R1.2 CC1=CSC=N1 HR132874 [2,0,0,0,0,0|2,0,0]=4 446 B6R1.2 CC1=NC=CN1 HR135019 [2,0,0,0,0,0|2,0,0]=4 447 B6R1.2 CC1=NC=CS1 HR128073 [2,0,0,0,0,0|1,1,0]=4 448 B6R1.2 CC1=NNC=C1 HR13253 [2,0,0,0,0,0|2,0,0]=4 449 B6R1.2 CC1=NOC=C1 HR104498 [2,0,0,0,0,0|2,0,0]=4 450 B6R1.2 CC1=NSC=C1 HR105128 [2,0,0,0,0,0|2,0,0]=4 451 B6R1.2 CN1C=CC=C1 HR131584 [2,0,0,0,0,0|2,0,0]=4 452 B6R1.2 CN1C=CC=N1 HR128244 [2,0,0,0,0,0|2,0,0]=4 453 B6R1.2 ClC1=CC=CS1 HR130520 [2,0,0,0,0,0|1,1,0]=4 454 B6R1.2 ClC1=NC=CO1 HR102063 [2,0,0,0,0,0|2,0,0]=4 455 B6R1.2 FC1=CC=CS1 HR116433 [2,0,0,0,0,0|1,1,0]=4 456 B6R1.2 IC1=CC=CS1 HR133352 [2,0,0,0,0,0|1,1,0]=4 457 B6R1.2 NC1=CC=CN1 HR107433 [2,0,0,0,0,0|2,0,0]=4 458 B6R1.2 NC1=CC=CS1 HR102647 [2,0,0,0,0,0|1,1,0]=4 459 B6R1.2 NC1=CC=NO1 HR120254 [2,0,0,0,0,0|2,0,0]=4 460 B6R1.2 NC1=NC=CO1 HR133033 [2,0,0,0,0,0|2,0,0]=4 461 B6R1.2 O=C1C=CCO1 HR119486 [2,0,0,0,0,0|0,1,1]=4 462 B6R1.2 O=C1OC=CO1 HR128933 [2,0,0,0,0,0|1,1,0]=4 463 B6R1.2 SC1=CC=CS1 HR128217 [2,0,0,0,0,0|0,1,0]=3 464 B6R1.2 SC1=CSC=C1 HR103982 [2,0,0,0,0,0|2,0,0]=4 465 B6R1.2 SC1=NC=CS1 HR127107 [2,0,0,0,0,0|1,1,0]=4 466 B8R0.6 C\C=C\C=C\C(=O)OC HR126101 [0,1,1,0,0,0|0,1,1]=4 467 B8R0.28 CC(=O)\C=C\C=C(C)C HR115321 [0,1,1,0,0,0|1,0,1]=4 468 B8R1.7 CC(=O)C1=CC=CN1 HR125135 [1,1,0,0,0,0|2,0,0]=4 469 B8R1.7 CC(=O)C1=CC=CO1 HR129914 [1,1,0,0,0,0|1,0,0]=3 470 B8R1.7 CC(=O)C1=CC=CS1 HR125914 [1,1,0,0,0,0|1,1,0]=4 471 B8R1.7 CC(=O)C1=CC=NO1 HR112153 [1,1,0,0,0,0|2,0,0]=4 472 B8R1.7 CC(=O)C1=NC=CO1 HR121608 [1,1,0,0,0,0|2,0,0]=4 473 B8R1.7 CC(C)C1=CC=CO1 HR128818 [1,1,0,0,0,0|1,0,0]=3 474 B8R1.7 CC(N)C1=CC=CS1 HR106452 [1,1,0,0,0,0|1,1,0]=4 475 B8R1.7 CC(O)C1=CC=CO1 HR110830 [1,1,0,0,0,0|1,0,0]=3 476 B8R1.7 NC(=S)C1=CC=CO1 HR109484 [1,1,0,0,0,0|2,0,0]=4 477 B8R1.7 O=C(Cl)c1ccco1 HR144597 [1,1,0,0,0,0|2,0,0]=4 478 B8R1.7 O=C(O)C1=CC=CO1 HR127796 [1,1,0,0,0,0|2,0,0]=4 479 B8R1.7 OB(O)C1=CC=CO1 HR124782 [1,1,0,0,0,0|2,0,0]=4 480 B8R1.8 BrCCC1=CC=CS1 HR139597 [1,1,0,0,0,0|1,1,0]=4 481 B8R1.8 CCCc1cccs1 HR132275 [1,1,0,0,0,0|1,1,0]=4 482 B8R1.8 CNCC1=CC=CS1 HR110963 [1,1,0,0,0,0|1,1,0]=4 483 B8R1.8 CNCC1=CC=CS1 HR117241 [1,1,0,0,0,0|1,1,0]=4 484 B8R1.8 CNCC1=CC=NO1 HR110883 [1,1,0,0,0,0|2,0,0]=4 485 B8R1.8 COCC1=CC=CS1 HR153359 [1,1,0,0,0,0|0,2,0]=4 486 B8R1.8 CSCC1=CC=CO1 HR129428 [1,1,0,0,0,0|0,0,0]=2 487 B8R1.8 ClCCC1=CC=CS1 HR118860 [1,1,0,0,0,0|1,1,0]=4 488 B8R1.8 NCCC1=CC=CO1 HR118527 [1,1,0,0,0,0|1,0,0]=3 489 B8R1.8 NCCC1=CC=CS1 HR127239 [1,1,0,0,0,0|1,1,0]=4 490 B8R1.8 OCCC1=CC=CS1 HR126977 [1,1,0,0,0,0|1,1,0]=4 491 B8R1.11 CSC1=C(Br)C=CS1 HR153246 [1,1,0,0,0,0|0,1,0]=3 492 B8R1.11 CSC1=C(C)OC=C1 HR141531 [1,1,0,0,0,0|2,0,0]=4 493 B8R1.11 NC1=C(C=O)OC=C1 HR116880 [1,1,0,0,0,0|2,0,0]=4 494 B8R1.11 O=CC1=C(Br)C=CO1 HR117201 [1,1,0,0,0,0|2,0,0]=4 495 B8R1.18 CC1=C(Br)C=C(Br)S1 HR129933 [1,1,0,0,0,0|1,1,0]=4 496 B8R1.18 CC1=C(Br)OC(Br)=C1 HR117895 [1,1,0,0,0,0|2,0,0]=4 497 B8R1.18 CC1=C(C)OC(=O)O1 HR138965 [1,1,0,0,0,0|1,1,0]=4 498 B8R1.18 CC1=CC(=O)C(C)O1 HR125615 [1,1,0,0,0,0|0,0,1]=3 499 B8R1.18 CC1=CC(=O)N(C)N1 HR138216 [1,1,0,0,0,0|2,0,0]=4 500 B8R1.18 CC1=CC(=O)OC1=O HR122406 [1,1,0,0,0,0|1,1,0]=4 501 B8R1.18 CC1=CC(C)=C(C)S1 HR106599 [1,1,0,0,0,0|0,1,0]=3 502 B8R1.18 CC1=CC(C)=NN1C HR125395 [1,1,0,0,0,0|2,0,0]=4 503 B8R1.18 CC1=CC(S)=C(C)O1 HR123446 [1,1,0,0,0,0|0,0,0]=2 504 B8R1.18 CC1=NC(C)=C(Br)S1 HR103403 [1,1,0,0,0,0|2,0,0]=4 505 B8R1.18 CC1=NC(C)=C(C)O1 HR8636 [1,1,0,0,0,0|1,0,0]=3 506 B8R1.18 CC1=NC(C)=C(C)S1 HR122499 [1,1,0,0,0,0|1,1,0]=4 507 B8R1.18 CC1=NN(C)C(Cl)=C1 HR135519 [1,1,0,0,0,0|2,0,0]=4 508 B8R1.18 CC1=NN(C)C(N)=C1 HR118884 [1,1,0,0,0,0|2,0,0]=4 509 B8R1.18 CC1=NN(C)C(O)=C1 HR147140 [1,1,0,0,0,0|2,0,0]=4 510 B8R1.18 CC1=NN(C)C=C1N HR110479 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.1 CC1=CC=C(CCN)C=C1 HR140819 [0,1,0,0,0,1|2,0,0]=4 512 B10R1.1 CC1=CC=C(CCO)C=C1 HR104738 [0,1,0,0,0,1|2,0,0]=4 513 B10R1.1 CC1=CC=C(CCO)C=N1 HR120419 [0,1,0,0,0,1|2,0,0]=4 514 B10R1.1 CC1=NC=C(CCBr)C=C1 HR110577 [0,1,0,0,0,1|2,0,0]=4 515 B10R1.1 CCSC1=CC=C(Br)C=C1 HR155341 [0,1,0,0,0,1|2,0,0]=4 516 B10R1.1 CCSC1=CC=C(F)C=C1 HR121435 [0,1,0,0,0,1|2,0,0]=4 517 B10R1.1 CNCC1=CC=C(C)C=C1 HR104938 [0,1,0,0,0,1|2,0,0]=4 518 B10R1.3 CCC1=CC=C(CCl)C=C1 HR137606 [0,1,0,0,0,1|2,0,0]=4 519 B10R1.3 CCC1=CC=C(CO)C=C1 HR154740 [0,1,0,0,0,1|2,0,0]=4 520 B10R1.3 CCC1=CC=C(OC)C=C1 HR133417 [0,1,0,0,0,1|1,1,0]=4 521 B10R1.3 CCc1ccc(CCl)cc1 HR137858 [0,1,0,0,0,1|2,0,0]=4 522 B10R1.3 CNC1=CC=C(OC)C=C1 HR104622 [0,1,0,0,0,1|1,1,0]=4 523 B10R1.3 COC1=CC=C(CBr)C=C1 HR138557 [0,1,0,0,0,1|1,1,0]=4 524 B10R1.3 COC1=CC=C(CCl)C=C1 HR124935 [0,1,0,0,0,1|1,1,0]=4 525 B10R1.3 COC1=CC=C(CN)C=C1 APCQ01802 [0,1,0,0,0,1|1,1,0]=4 526 B10R1.3 COC1=CC=C(CN)C=N1 HR32595 [0,1,0,0,0,1|1,1,0]=4 527 B10R1.3 COC1=CC=C(CO)C=C1 HR124399 [0,1,0,0,0,1|1,1,0]=4 528 B10R1.3 COC1=CC=C(CO)C=N1 HR152817 [0,1,0,0,0,1|1,1,0]=4 529 B10R1.3 COC1=CC=C(CS)C=C1 HR119322 [0,1,0,0,0,1|1,1,0]=4 530 B10R1.3 COC1=CC=C(OC)C=C1 HR128377 [0,1,0,0,0,1|1,1,0]=4 531 B10R1.3 COC1=CC=C(OC)N=N1 HR153179 [0,1,0,0,0,1|1,1,0]=4 532 B10R1.3 COC1=CC=C(SC)C=C1 HR140848 [0,1,0,0,0,1|1,0,0]=3 533 B10R1.3 COC1=CN=C(CO)C=C1 HR33716 [0,1,0,0,0,1|1,1,0]=4 534 B10R1.3 COC1=CN=C(OC)C=C1 HR152736 [0,1,0,0,0,1|1,1,0]=4 535 B10R1.3 COC1=NC=C(CBr)C=C1 HR152818 [0,1,0,0,0,1|1,1,0]=4 536 B10R1.3 CSC1=CC=C(C#N)C=C1 HR113398 [0,1,0,0,0,1|1,0,1]=4 537 B10R1.3 CSC1=CC=C(C=O)C=C1 HR133144 [0,1,0,0,0,1|1,0,1]=4 538 B10R1.3 CSC1=CC=C(CCl)C=C1 HR102941 [0,1,0,0,0,1|1,0,0]=3 539 B10R1.3 CSC1=CC=C(CO)C=C1 HR113719 [0,1,0,0,0,1|1,0,0]=3 540 B10R1.3 CSC1=CC=C(CO)C=N1 HR153029 [0,1,0,0,0,1|1,0,0]=3 541 B10R1.3 CSC1=CC=C(NN)C=C1 HR112755 [0,1,0,0,0,1|2,0,0]=4 542 B10R1.13 CC(=O)C1=CC=C(C)N=C1 HR33295 [0,1,0,0,0,1|2,0,0]=4 543 B10R1.13 CC(=O)C1=NC=C(C)C=C1 HR33854 [0,1,0,0,0,1|2,0,0]=4 544 B10R1.13 CC(=O)c1ccc(C)cc1 HR133680 [0,1,0,0,0,1|2,0,0]=4 545 B10R1.13 CC(=S)C1=CC=C(C)C=C1 ELSA04701 [0,1,0,0,0,1|2,0,0]=4 546 B10R1.13 CC1=CC=C(C(C)C)CC1 HR128020 [0,1,0,0,0,1|2,0,0]=4 547 B10R1.13 CC1=CC=C(C(C)O)C=C1 HR137011 [0,1,0,0,0,1|2,0,0]=4 548 B10R1.13 CC1=CC=C(N(C)C)C=C1 HR135289 [0,1,0,0,0,1|2,0,0]=4 549 B10R1.13 CC1=CC=C(N(C)N)N=N1 HR102079 [0,1,0,0,0,1|2,0,0]=4 550 B10R1.13 Cc1ccc(C(C)C)cc1 HR116194 [0,1,0,0,0,1|2,0,0]=4 551 B10R1.25 CCC1=CC=C(C)N=C1N HR110476 [0,1,0,0,0,1|2,0,0]=4 552 B10R1.25 CCC1=NC=C(C)C=C1C HR103745 [0,1,0,0,0,1|2,0,0]=4 553 B10R1.25 COC1=C(Br)C=C(C)C=C1 HR143355 [0,1,0,0,0,1|1,1,0]=4 554 B10R1.25 COC1=C(C)C=C(C)C=C1 HR142284 [0,1,0,0,0,1|1,1,0]=4 555 B10R1.25 COC1=C(Cl)C=C(C)C=C1 HR31964 [0,1,0,0,0,1|1,1,0]=4 556 B10R1.25 COC1=C(F)C=C(C)C=C1 HR153899 [0,1,0,0,0,1|1,1,0]=4 557 B10R1.25 COC1=C(N)C=C(C)C=C1 HR146718 [0,1,0,0,0,1|1,1,0]=4 558 B10R1.25 COC1=C(O)C=C(C)C=C1 HR32145 [0,1,0,0,0,1|1,1,0]=4 559 B10R1.25 COC1=CC=C(C)N=C1Br HR152547 [0,1,0,0,0,1|1,1,0]=4 560 B10R1.25 COC1=CC=C(C)N=C1F HR152688 [0,1,0,0,0,1|1,1,0]=4 561 B10R1.25 COC1=NC=C(C)C=C1Br HR152591 [0,1,0,0,0,1|1,1,0]=4 562 B10R1.25 CSC1=C(Br)C=C(C)C=C1 HR153885 [0,1,0,0,0,1|1,0,0]=3 563 B10R1.25 CSC1=C(Br)C=C(Cl)C=C1 HR154082 [0,1,0,0,0,1|2,0,0]=4 564 B10R1.25 CSC1=C(Br)C=C(F)C=C1 HR153730 [0,1,0,0,0,1|2,0,0]=4 565 B10R1.25 CSC1=C(C)C=C(Br)C=C1 HR154522 [0,1,0,0,0,1|2,0,0]=4 566 B10R1.25 CSC1=C(C)C=C(F)C=C1 HR153765 [0,1,0,0,0,1|2,0,0]=4 567 B10R1.25 CSC1=C(C)C=C(O)C=C1 HR10656 [0,1,0,0,0,1|2,0,0]=4 568 B10R1.25 CSC1=C(C)C=C(O)C=N1 HR153006 [0,1,0,0,0,1|2,0,0]=4 569 B10R1.25 CSC1=C(Cl)C=C(Br)C=C1 HR153676 [0,1,0,0,0,1|2,0,0]=4 570 B10R1.25 CSC1=C(Cl)C=C(O)C=C1 HR156503 [0,1,0,0,0,1|2,0,0]=4 571 B10R1.25 CSC1=C(F)C=C(Br)C=C1 HR153775 [0,1,0,0,0,1|2,0,0]=4 572 B10R1.25 CSC1=C(F)C=C(F)C=C1 HR154033 [0,1,0,0,0,1|2,0,0]=4 573 B10R1.25 CSC1=C(O)C=C(F)C=C1 HR153937 [0,1,0,0,0,1|2,0,0]=4 574 B10R1.25 CSC1=CC=C(Cl)N=C1Cl HR156651 [0,1,0,0,0,1|2,0,0]=4 575 B10R1.25 CSC1=CC=C(F)N=C1C HR152691 [0,1,0,0,0,1|2,0,0]=4 576 B10R1.25 CSC1=NC=C(Br)C=C1Br HR152857 [0,1,0,0,0,1|2,0,0]=4 577 B10R1.25 CSC1=NC=C(Br)C=C1C HR153254 [0,1,0,0,0,1|2,0,0]=4 578 B10R1.25 CSC1=NC=C(C)C=C1Br HR153034 [0,1,0,0,0,1|1,0,0]=3 579 B10R1.25 CSC1=NC=C(Cl)C=C1Br HR152846 [0,1,0,0,0,1|2,0,0]=4 580 B10R1.25 CSC1=NC=C(I)C=C1C HR156508 [0,1,0,0,0,1|2,0,0]=4 581 B10R1.176 COC1=CC(Br)=C(C)C=C1 HR153587 [0,1,0,0,0,1|1,1,0]=4 582 B10R1.176 COC1=CC(Br)=C(C)C=C1 HR31941 [0,1,0,0,0,1|1,1,0]=4 583 B10R1.176 COC1=CC(Cl)=C(C)C=C1 HR132823 [0,1,0,0,0,1|1,1,0]=4 584 B10R1.176 COC1=CC(F)=C(C)C=C1 HR144625 [0,1,0,0,0,1|1,1,0]=4 585 B10R1.176 COC1=CC(N)=C(C)C=C1 HR108625 [0,1,0,0,0,1|1,1,0]=4 586 B10R1.176 COC1=CC(O)=C(C)C=C1 HR154429 [0,1,0,0,0,1|1,1,0]=4 587 B10R1.176 COC1=CC=C(C)C(N)=N1 HR104582 [0,1,0,0,0,1|1,1,0]=4 588 B10R1.176 CSC1=CC(C)=C(Br)C=C1 HR153776 [0,1,0,0,0,1|2,0,0]=4 589 B10R1.176 CSC1=CC(C)=C(O)C=C1 HR154883 [0,1,0,0,0,1|2,0,0]=4 590 B10R1.176 CSC1=CC(F)=C(Br)C=C1 HR153706 [0,1,0,0,0,1|2,0,0]=4 591 B10R1.176 CSC1=CC(F)=C(F)C=C1 HR154036 [0,1,0,0,0,1|2,0,0]=4 592 B10R1.176 CSC1=CC(O)=C(C)C=C1 HR154014 [0,1,0,0,0,1|1,0,0]=3 593 B10R1.176 CSC1=CC=C(Br)C(Cl)=N1 HR156423 [0,1,0,0,0,1|2,0,0]=4 594 B10R1.176 CSC1=NC(C)=C(Br)C=C1 HR152864 [0,1,0,0,0,1|2,0,0]=4 595 B10R1.176 CSC1=NC=C(Br)C(C)=C1 HR152863 [0,1,0,0,0,1|2,0,0]=4 596 B10R1.176 CSc1ccc(F)c(O)c1 HR154054 [0,1,0,0,0,1|2,0,0]=4 597 B10R1.2 CCC1=C(N)C(C)=CC=C1 HR132059 [0,1,0,0,0,1|2,0,0]=4 598 B10R1.2 CCc1cccc(C)c1I HR105535 [0,1,0,0,0,1|2,0,0]=4 599 B10R1.2 COC1=C(C)C(C)=CC=C1 HR4114 [0,1,0,0,0,1|1,1,0]=4 600 B10R1.2 COC1=C(F)C(C)=CC=C1 HR153618 [0,1,0,0,0,1|1,1,0]=4 601 B10R1.2 COC1=C(N)C(C)=CC=C1 HR108943 [0,1,0,0,0,1|1,1,0]=4 602 B10R1.2 COC1=C(O)C(C)=CC=C1 HR112173 [0,1,0,0,0,1|1,1,0]=4 603 B10R1.2 COC1=NC=CC(C)=C1N HR147021 [0,1,0,0,0,1|1,1,0]=4 604 B10R1.2 CSC1=C(F)C(Br)=CC=C1 HR154112 [0,1,0,0,0,1|2,0,0]=4 605 B10R1.2 CSC1=C(F)C(Cl)=NC=C1 HR153140 [0,1,0,0,0,1|2,0,0]=4 606 B10R1.2 CSC1=C(F)C(F)=CC=C1 HR153789 [0,1,0,0,0,1|2,0,0]=4 607 B10R1.2 CSC1=C(I)C(N)=NC=C1 HR115873 [0,1,0,0,0,1|2,0,0]=4 608 B10R1.2 CSC1=CC=CC(Cl)=C1C HR139295 [0,1,0,0,0,1|2,0,0]=4 609 B10R1.2 CSC1=CC=CC(Cl)=C1Cl HR155232 [0,1,0,0,0,1|2,0,0]=4 610 B10R1.2 CSC1=CC=CC(F)=C1Cl HR155272 [0,1,0,0,0,1|2,0,0]=4 611 B10R1.2 CSC1=CC=CC(F)=C1O HR154057 [0,1,0,0,0,1|2,0,0]=4 612 B10R1.2 CSC1=CC=CC(O)=C1F HR154152 [0,1,0,0,0,1|2,0,0]=4 613 B10R1.2 CSC1=CN=CC(Br)=C1C HR156417 [0,1,0,0,0,1|2,0,0]=4 614 B10R1.8 CCC1=CC(C)=CC(O)=C1 HR106036 [0,1,0,0,0,1|2,0,0]=4 615 B10R1.8 CCC1=NC(C)=NC(O)=C1 HR146760 [0,1,0,0,0,1|2,0,0]=4 616 B10R1.8 COC1=CC(C)=CC(Br)=C1 HR122080 [0,1,0,0,0,1|1,1,0]=4 617 B10R1.8 COC1=CC(C)=CC(C)=C1 HR129582 [0,1,0,0,0,1|1,1,0]=4 618 B10R1.8 COC1=CC(C)=CC(Cl)=C1 HR33290 [0,1,0,0,0,1|1,1,0]=4 619 B10R1.8 COC1=CC(C)=CC(N)=C1 HR104143 [0,1,0,0,0,1|1,1,0]=4 620 B10R1.8 COC1=CC(C)=CC(O)=C1 HR120054 [0,1,0,0,0,1|1,1,0]=4 621 B10R1.8 COC1=CC(Cl)=NC(C)=N1 HR30068 [0,1,0,0,0,1|1,1,0]=4 622 B10R1.8 COC1=CC(F)=CC(C)=C1 HR153954 [0,1,0,0,0,1|1,1,0]=4 623 B10R1.8 COC1=NC(=O)C=C(C)N1 HR115822 [0,1,0,0,0,1|1,1,0]=4 624 B10R1.8 COC1=NC(C)=CC(C)=N1 HR114247 [0,1,0,0,0,1|1,1,0]=4 625 B10R1.8 CSC1=CC(Br)=CC(Br)=C1 HR154139 [0,1,0,0,0,1|2,0,0]=4 626 B10R1.8 CSC1=CC(Br)=CC(Cl)=C1 HR154140 [0,1,0,0,0,1|2,0,0]=4 627 B10R1.8 CSC1=CC(Br)=CC(F)=C1 HR31918 [0,1,0,0,0,1|2,0,0]=4 628 B10R1.8 CSC1=CC(C)=CC(C)=C1 HR154149 [0,1,0,0,0,1|1,0,0]=3 629 B10R1.8 CSC1=CC(C)=NC(Cl)=N1 HR109819 [0,1,0,0,0,1|2,0,0]=4 630 B10R1.8 CSC1=CC(Cl)=CC(Cl)=C1 HR127022 [0,1,0,0,0,1|2,0,0]=4 631 B10R1.8 CSC1=CC(Cl)=CC(F)=C1 HR154267 [0,1,0,0,0,1|2,0,0]=4 632 B10R1.8 CSC1=CC(F)=CC(F)=C1 HR154035 [0,1,0,0,0,1|2,0,0]=4 633 B10R1.8 CSC1=CC(O)=CC(Br)=C1 HR30542 [0,1,0,0,0,1|2,0,0]=4 634 B10R1.8 CSC1=CC(O)=CC(F)=C1 HR154582 [0,1,0,0,0,1|2,0,0]=4 635 B10R1.8 CSC1=NC(C)=CC(C)=N1 HR131479 [0,1,0,0,0,1|1,0,0]=3 636 B10R1.8 CSC1=NC(C)=CC(Cl)=N1 HR115500 [0,1,0,0,0,1|1,0,0]=3 637 B10R1.8 CSC1=NC(C)=CC(N)=N1 HR115489 [0,1,0,0,0,1|1,0,0]=3 638 B10R1.8 CSC1=NC(C)=CC(O)=N1 HR118224 [0,1,0,0,0,1|1,0,0]=3 639 B10R1.8 CSC1=NC(Cl)=CC(Cl)=N1 HR137094 [0,1,0,0,0,1|2,0,0]=4 640 B10R1.8 CSC1=NC(Cl)=CC(N)=N1 HR118713 [0,1,0,0,0,1|2,0,0]=4 641 B10R1.8 CSC1=NC(N)=CC(N)=N1 HR112735 [0,1,0,0,0,1|2,0,0]=4 642 B10R1.8 CSC1=NC(O)=CC(N)=N1 HR118872 [0,1,0,0,0,1|2,0,0]=4 643 B10R1.8 CSC1=NC(O)=CC(O)=N1 HR146548 [0,1,0,0,0,1|2,0,0]=4 644 B10R1.10 CC1=CC=CC(CCN)=N1 HR110232 [0,1,0,0,0,1|2,0,0]=4 645 B10R1.10 CC1=CC=CC(CCO)=C1 HR126660 [0,1,0,0,0,1|2,0,0]=4 646 B10R1.10 CCOC1=CC(C)=CN=C1 HR152848 [0,1,0,0,0,1|1,1,0]=4 647 B10R1.10 CCOC1=NC(C)=CN=C1 HR125270 [0,1,0,0,0,1|1,1,0]=4 648 B10R1.30 CCC1=NC(C)=CC=C1O HR105919 [0,1,0,0,0,1|2,0,0]=4 649 B10R1.30 CCC1=NC(C)=CC=C1O HR127004 [0,1,0,0,0,1|2,0,0]=4 650 B10R1.30 CCC1=NC(C)=CC=C1O HR129578 [0,1,0,0,0,1|2,0,0]=4 651 B10R1.30 CCC1=NC(C)=CN=C1C HR126043 [0,1,0,0,0,1|2,0,0]=4 652 B10R1.30 COC1=C(Br)C=CC(C)=C1 HR4136 [0,1,0,0,0,1|1,1,0]=4 653 B10R1.30 COC1=C(C)C=CC(C)=C1 HR144892 [0,1,0,0,0,1|1,1,0]=4 654 B10R1.30 COC1=C(O)C=CC(C)=C1 HR129473 [0,1,0,0,0,1|1,1,0]=4 655 B10R1.30 COC1=CC(C)=CN=C1F HR152626 [0,1,0,0,0,1|1,1,0]=4 656 B10R1.30 COC1=NC(C)=CC=C1Br HR8122 [0,1,0,0,0,1|1,1,0]=4 657 B10R1.30 COC1=NC(C)=CC=C1F HR106695 [0,1,0,0,0,1|1,1,0]=4 658 B10R1.30 COC1=NC(C)=CC=C1N HR1266 [0,1,0,0,0,1|1,1,0]=4 659 B10R1.30 COC1=NC(C)=NC=C1N HR103701 [0,1,0,0,0,1|1,1,0]=4 660 B10R1.30 CSC1=C(Br)C=CC(Br)=C1 HR153546 [0,1,0,0,0,1|2,0,0]=4 661 B10R1.30 CSC1=C(Br)C=CC(C)=C1 HR154128 [0,1,0,0,0,1|1,0,0]=3 662 B10R1.30 CSC1=C(Br)C=CC(I)=C1 HR154180 [0,1,0,0,0,1|2,0,0]=4 663 B10R1.30 CSC1=C(C)C=CC(Br)=C1 HR153740 [0,1,0,0,0,1|2,0,0]=4 664 B10R1.30 CSC1=C(Cl)C=CC(C)=C1 HR154050 [0,1,0,0,0,1|1,0,0]=3 665 B10R1.30 CSC1=C(F)C=CC(Br)=C1 HR154008 [0,1,0,0,0,1|2,0,0]=4 666 B10R1.30 CSC1=C(F)C=CC(C)=C1 HR154006 [0,1,0,0,0,1|1,0,0]=3 667 B10R1.30 CSC1=CC(Cl)=NC=C1F HR156252 [0,1,0,0,0,1|2,0,0]=4 668 B10R1.30 CSC1=NC(Cl)=NC=C1Br HR32782 [0,1,0,0,0,1|2,0,0]=4 669 B10R1.113 CC(=O)C1=CC(C)=NC=C1 HR146863 [0,1,0,0,0,1|2,0,0]=4 670 B10R1.113 CC(=O)C1=NC(C)=CC=C1 HR119103 [0,1,0,0,0,1|2,0,0]=4 671 B10R1.113 CC(=O)C1=NC=CC(C)=C1 HR136599 [0,1,0,0,0,1|2,0,0]=4 672 B10R1.113 CC(=O)c1cccc(C)c1 HR135103 [0,1,0,0,0,1|2,0,0]=4 673 B10R1.113 CC1=CC(C(C)N)=CC=C1 HR112507 [0,1,0,0,0,1|2,0,0]=4 674 B10R1.113 CC1=CC=CC(N(C)C)=C1 HR126165 [0,1,0,0,0,1|2,0,0]=4 675 B10R1.113 Cc1cccc(C(C)N)c1 HR112190 [0,1,0,0,0,1|2,0,0]=4 676 B10R1.172 CCC1=CC(SC)=CC=C1 HR154156 [0,1,0,0,0,1|1,0,0]=3 677 B10R1.172 CCC1=CC=CC(CO)=C1 HR154155 [0,1,0,0,0,1|2,0,0]=4 678 B10R1.172 CCC1=CC=CC(CO)=N1 HR109519 [0,1,0,0,0,1|2,0,0]=4 679 B10R1.172 CCC1=NC(OC)=CC=C1 HR152523 [0,1,0,0,0,1|1,1,0]=4 680 B10R1.172 CCc1cccc(CC)c1 HR121574 [0,1,0,0,0,1|2,0,0]=4 681 B10R1.172 CNC1=CC=CC(OC)=N1 HR130562 [0,1,0,0,0,1|1,1,0]=4 682 B10R1.172 COC1=CC(CN)=NC=C1 HR31884 [0,1,0,0,0,1|1,1,0]=4 683 B10R1.172 COC1=CC(CN)=NC=C1 HR33722 [0,1,0,0,0,1|1,1,0]=4 684 B10R1.172 COC1=CC(CO)=NC=C1 HR145024 [0,1,0,0,0,1|1,1,0]=4 685 B10R1.172 COC1=CC(OC)=NC=C1 HR102284 [0,1,0,0,0,1|1,1,0]=4 686 B10R1.172 COC1=CC(SC)=CC=C1 HR140753 [0,1,0,0,0,1|1,0,0]=3 687 B10R1.172 COC1=CC=CC(CBr)=C1 HR121376 [0,1,0,0,0,1|1,1,0]=4 688 B10R1.172 COC1=CC=CC(CCl)=C1 HR138731 [0,1,0,0,0,1|1,1,0]=4 689 B10R1.172 COC1=CC=CC(CN)=C1 HR117311 [0,1,0,0,0,1|1,1,0]=4 690 B10R1.172 COC1=CC=CC(CN)=N1 HR107631 [0,1,0,0,0,1|1,1,0]=4 691 B10R1.172 COC1=CC=CC(CO)=C1 HR124149 [0,1,0,0,0,1|1,1,0]=4 692 B10R1.172 COC1=CC=CC(CO)=N1 HR109997 [0,1,0,0,0,1|1,1,0]=4 693 B10R1.172 COC1=CC=CC(OC)=C1 HR128107 [0,1,0,0,0,1|1,1,0]=4 694 B10R1.172 COC1=CC=CC(OC)=N1 HR129063 [0,1,0,0,0,1|1,1,0]=4 695 B10R1.172 COC1=CN=CC(CO)=C1 HR104545 [0,1,0,0,0,1|1,1,0]=4 696 B10R1.172 COC1=CN=CC(OC)=C1 HR150965 [0,1,0,0,0,1|1,1,0]=4 697 B10R1.172 COC1=CN=CC(OC)=C1 HR33246 [0,1,0,0,0,1|1,1,0]=4 698 B10R1.172 COC1=CN=CC(OC)=N1 HR137509 [0,1,0,0,0,1|1,1,0]=4 699 B10R1.172 COC1=CN=CC(SC)=C1 HR152981 [0,1,0,0,0,1|1,0,0]=3 700 B10R1.172 COC1=NC(OC)=NC=C1 HR133291 [0,1,0,0,0,1|1,1,0]=4 701 B10R1.172 COC1=NC=CC(CO)=C1 HR108626 [0,1,0,0,0,1|1,1,0]=4 702 B10R1.172 COC1=NC=CC(SC)=C1 HR152843 [0,1,0,0,0,1|1,0,0]=3 703 B10R1.172 CSC1=CC(SC)=NC=C1 HR119936 [0,1,0,0,0,1|1,0,0]=3 704 B10R1.172 CSC1=CN=CC(SC)=C1 HR156460 [0,1,0,0,0,1|1,0,0]=3 705 B10R1.172 CSC1=NC(NN)=NC=C1 HR109201 [0,1,0,0,0,1|2,0,0]=4 706 B10R1.172 CSC1=NC=CC(C#N)=N1 HR148393 [0,1,0,0,0,1|1,0,1]=4 707 B10R1.172 CSC1=NC=CC(C=O)=N1 HR112028 [0,1,0,0,0,1|1,0,1]=4 708 B10R1.14 CCC(=O)C1=CC=C(C)O1 HR141697 [0,2,0,0,0,0|1,0,0]=3 709 B10R1.14 CCC(=O)C1=CC=C(C)S1 HR118488 [0,2,0,0,0,0|1,1,0]=4 710 B10R1.14 COC(=O)C1=CC=C(Br)O1 HR103271 [0,2,0,0,0,0|1,1,0]=4 711 B10R1.14 COC(=O)C1=CC=C(C)O1 HR108167 [0,2,0,0,0,0|0,1,0]=3 712 B10R1.16 CSSCc1ccc(C)o1 HR121074 [0,2,0,0,0,0|0,0,0]=2 713 B10R1.96 COCC1=CC=C(C=O)O1 HR119255 [0,2,0,0,0,0|0,1,1]=4 714 B10R1.96 COCC1=CC=C(CO)S1 HR153386 [0,2,0,0,0,0|0,2,0]=4 715 B10R1.31 CC(=O)C1=CC=C(C#N)O1 HR118146 [0,2,0,0,0,0|1,0,1]=4 716 B10R1.31 CSC1=CC=C(C(=O)O)S1 HR111199 [0,2,0,0,0,0|0,1,1]=4 717 B10R1.31 CSc1ccc(B(O)O)s1 HR152066 [0,2,0,0,0,0|1,1,0]=4 718 B10R1.31 O=C(O)C1=CC=C(CO)O1 HR108425 [0,2,0,0,0,0|2,0,0]=4 719 B10R1.31 OCC1=CC=C(B(O)O)O1 HR151407 [0,2,0,0,0,0|2,0,0]=4 720 B10R1.34 CCC1OC(C)=C(O)C1=O HR125145 [0,2,0,0,0,0|1,0,1]=4 721 B10R1.34 CCC1OC(C)=C(O)C1=O HR125409 [0,2,0,0,0,0|1,0,1]=4 722 B10R1.55 CC1=CC=C(C(F)(F)F)O1 HR125964 [0,2,0,0,0,0|2,0,0]=4 723 B8R1.2 COC1=CC=CCC1 HR140042 [0,0,1,1,0,0|1,1,0]=4 724 B8R1.2 CSC1=CC=CC=C1 HR122762 [0,0,1,1,0,0|1,0,1]=4 725 B8R1.2 CSC1=NC=CC=C1 HR131827 [0,0,1,1,0,0|1,0,1]=4 726 B8R1.3 CC1=CC=C(O)C=N1 HR123018 [0,0,1,1,0,0|2,0,0]=4 727 B8R1.3 CC1=CN=C(O)C=C1 HR127832 [0,0,1,1,0,0|1,0,1]=4 728 B8R1.3 CC1=CN=C(O)C=C1 HR14321 [0,0,1,1,0,0|1,0,1]=4 729 B8R1.3 Cc1ccc(O)cc1 HR128349 [0,0,1,1,0,0|1,0,1]=4 730 B8R1.5 CC1=NC=CC=C1O HR6626 [0,0,1,1,0,0|2,0,0]=4